SCHEMBL9348648

SCHEMBL9348648

CCCCCNc1cccc2c1Cc1ccccc1C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAOA P21397 1/20 0.44
ALDH1A1 P00352 5/20 0.42
APAF1 O14727 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
TERT O14746 1/20 0.40
HTT P42858 4/20 0.39
MAPK1 P28482 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
LMNA P02545 2/20 0.39
RECQL P46063 2/20 0.39
POLB P06746 2/20 0.39
EGFR P00533 1/20 0.39
RAD52 P43351 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
SCHEMBL3259665 0.89 NPC1 (0.51) NPC1RAB9AALDH1A1APAF1MEN1
SCHEMBL30203895 0.88 NPC1 (0.50) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL29068479 0.85 NPC1 (0.52) NPC1RAB9AALDH1A1APAF1MEN1
SCHEMBL28791770 0.77 MEN1 (0.42) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL45259 0.76 MEN1 (0.63) NPC1RAB9AMAOAALDH1A1APAF1
SCHEMBL13587207 0.75 MEN1 (0.61) RAB9AMAOAALDH1A1APAF1MEN1
SCHEMBL7854850 0.75 MEN1 (0.61) RAB9AMAOAALDH1A1APAF1MEN1
Ammonia Solution, Strong SCHEMBL11423642 0.75 MEN1 (0.61) NPC1RAB9AMAOAALDH1A1APAF1
SCHEMBL7853370 0.75 MEN1 (0.61) RAB9AMAOAALDH1A1APAF1MEN1
SCHEMBL1898424 0.75 MEN1 (0.61) RAB9AMAOAALDH1A1APAF1MEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4062875-A FROM 2-ACYLAMINO-2'-CARBOXY-DIPHENYLMETHANE BAYER AKTIENGESELLSCHAFT (DT) 1977-12-13 US claimed
EP-0409638-B1 Anthraquinone dyes having alkylsulfonylamino substituents MINNESOTA MINING & MFG (US) 1994-08-31 EP disclosed
US-5034547-A Colorfastness MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-07-23 US disclosed
EP-0409638-A1 Anthraquinone dyes having alkylsulfonylamino substituents MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-01-23 EP disclosed
US-4062875-A FROM 2-ACYLAMINO-2'-CARBOXY-DIPHENYLMETHANE BAYER AKTIENGESELLSCHAFT (DT) 1977-12-13 US disclosed
US-4062875-A FROM 2-ACYLAMINO-2'-CARBOXY-DIPHENYLMETHANE BAYER AKTIENGESELLSCHAFT (DT) 1977-12-13 US disclosed
US-4062875-A FROM 2-ACYLAMINO-2'-CARBOXY-DIPHENYLMETHANE BAYER AKTIENGESELLSCHAFT (DT) 1977-12-13 US disclosed
US-3991097-A BORON HYDRIDE OR METAL BOROHYDRIDES AS REDUCING AGENT, LEWIS ACID HOECHST AKTIENGESELLSCHAFT (DT) 1976-11-09 US disclosed