SCHEMBL10993752

SCHEMBL10993752

Cc1cccc(N(CCCl)CCCl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 2/20 0.44
PAX8 Q06710 2/20 0.44
TP53 P04637 1/20 0.44
GPX4 P36969 1/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 3/20 0.43
JAK2 O60674 1/20 0.43
ACHE P22303 2/20 0.42
EGFR P00533 2/20 0.41
ERBB2 P04626 2/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30918104 0.91 GFER (0.46) RAB9AALDH1A1NPC1PAX8TP53
SCHEMBL2405546 0.91 GFER (0.46) RAB9AALDH1A1NPC1PAX8TP53
SCHEMBL11635238 0.87 RAB9A (0.48) RAB9AALDH1A1NPC1PAX8TP53
SCHEMBL11642527 0.87 CNR2 (0.43) RAB9AALDH1A1NPC1PAX8TP53
SCHEMBL11642151 0.86 RAB9A (0.47) RAB9AALDH1A1NPC1PAX8TP53
SCHEMBL11636036 0.85 RAB9A (0.56) RAB9AALDH1A1NPC1PAX8HTT
SCHEMBL10980020 0.82 HTR7 (0.47) RAB9AALDH1A1NPC1PAX8TP53
SCHEMBL8391381 0.82 ALDH1A1 (0.45) RAB9AALDH1A1NPC1PAX8TP53
SCHEMBL30124196 0.82 ALDH1A1 (0.45) RAB9AALDH1A1NPC1PAX8TP53
SCHEMBL11689339 0.80 LMNA (0.49) RAB9AALDH1A1NPC1PAX8TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4439380-A Photopolymerizable composition, especially for dental purposes ETABLISSEMENT DENTAIRE IVOCLAR (LI) 1984-03-27 US claimed
US-4500715-A CHEMICAL INTERMEDIATES FOR PLANT SAFENING AGENTS AND DYES BAYER AKTIENGESELLSCHAFT (DE) 1985-02-19 US disclosed
US-4439380-A Photopolymerizable composition, especially for dental purposes ETABLISSEMENT DENTAIRE IVOCLAR (LI) 1984-03-27 US disclosed
US-4268438-A Cationic 1,3,4-thiadiazole dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 US disclosed
US-4243584-A Monoazo dyestuffs containing diazo component substituted by disulfimide and trifluoromethyl groups BAYER AKTIENGESELLSCHAFT (DE) 1981-01-06 US disclosed
US-4159265-A Phenylazopyrazolo dyestuffs including disulfimide substituent BAYER AKTIENGESELLSCHAFT (DE) 1979-06-26 US disclosed
US-4088673-A Process for the preparation of styryl dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1978-05-09 US disclosed
US-4045458-A FRIEDEL-CRAFTS CATALYSTS KANZAKI PAPER MANUFACTURING CO., LTD. (JA) 1977-08-30 US disclosed
US-4036824-A Disazo dyestuffs containing A-O-alkylene-O-SO3 H group BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US disclosed
US-4035380-A Certain benzazol-2-ylthio compounds CIBA-GEIGY AG (CH) 1977-07-12 US disclosed
US-4022763-A Sulfaphenyl-azo-phenyl-azo-aminophenyl dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-05-10 US disclosed
US-3978039-A POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-24 US disclosed
US-3930671-A Color former and pressure-sensitive copying paper FUJI PHOTO FILM CO., LTD. (JA) 1976-01-06 US disclosed