SCHEMBL11338593

SCHEMBL11338593

O=C(NCCN1CCOCC1)c1cc2cc(Br)ccc2cc1O

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
LMNA P02545 2/20 0.59
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 2/20 0.53
ABL1 P00519 1/20 0.53
RIN1 Q13671 1/20 0.53
MAPK1 P28482 1/20 0.53
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
SYK P43405 1/20 0.52
GLA P06280 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL11238408 0.94 LMNA (0.69) TSHRLMNAKMT2AMAPK1MAOA
SCHEMBL8356152 0.87 CYP1A2 (0.68) TSHRLMNACYP1A2CYP2D6CYP2C19
SCHEMBL11338560 0.87 CYP2C19 (0.61) LMNACYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL4580300 0.81 ALDH1A1 (0.69) TSHRLMNACYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL10348659 0.80 ALDH1A1 (0.68) TSHRLMNACYP1A2CYP2D6CYP2C19
SCHEMBL17678082 0.79 LMNA (0.67) TSHRLMNAKMT2AABL1RIN1
SCHEMBL21619352 0.79 LMNA (0.67) TSHRLMNACYP2C19KMT2AABL1
SCHEMBL4579225 0.79 LMNA (0.61) TSHRLMNACYP1A2CYP2D6CYP2C19
SCHEMBL10881735 0.77 KDM4E (0.54) LMNAKMT2AHPGDSMN1; SMN2
SCHEMBL10336968 0.77 KDM4E (0.64) TSHRLMNACYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4304831-A ELECTROGRAPHY; COPIES RICOH CO., LTD. (JP) 1981-12-08 US claimed
US-4304831-A ELECTROGRAPHY; COPIES RICOH CO., LTD. (JP) 1981-12-08 US disclosed
US-4225662-A 5-(ACETOACETAMIDO)BENZIMIDAZOLIN-2-ONE YELLOW COUPLERS RICOH COMPANY, LTD. (JP) 1980-09-30 US disclosed