SCHEMBL31220344

SCHEMBL31220344

Cc1ccc(C)n1-c1nc2cc(C=O)ccc2n1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.44
HDAC1 Q13547 3/20 0.42
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PTGER4 P35408 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A3 P47895 1/20 0.33

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
SCHEMBL25168439 1.00 CYP2A6 (0.44) CYP2A6HDAC1ALDH1A1TSHRKDM4E
SCHEMBL19763372 0.75 CA1 (0.51) CYP2A6HDAC1ALDH1A1KDM4EMAPT
SCHEMBL17315022 0.73 HDAC1 (0.44) CYP2A6HDAC1ALDH1A1TSHRKDM4E
SCHEMBL25171828 0.73 HSD17B10 (0.42) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL31220108 0.73 HSD17B10 (0.42) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL25174516 0.71 KDM4E (0.55) HDAC1ALDH1A1KDM4EMAPTPOLB
SCHEMBL31220129 0.71 KDM4E (0.55) HDAC1ALDH1A1KDM4EMAPTPOLB
SCHEMBL28539017 0.71 KMT2A (0.44) CYP2A6HDAC1ALDH1A1KDM4EMAPT
SCHEMBL28833063 0.70 CYP2A6 (0.56) CYP2A6ALDH1A1TSHRKDM4EMAPT
SCHEMBL14304918 0.70 HDAC1 (0.45) CYP2A6HDAC1ALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118974035-A 2-Aminoimidazole derivatives as PRMT5 inhibitors 米拉蒂医疗股份有限公司 2024-11-15 CN disclosed
EP-4426690-A2 2-AMINO IMIDAZOLE DERIVATIVES AS PRMT5 INHIBITORS Mirati Therapeutics, Inc. (US) 2024-09-11 EP disclosed