SCHEMBL10410397

SCHEMBL10410397

Cc1nccn1/N=C/c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
ATM Q13315 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALOX15 P16050 3/20 0.44
MAPT P10636 4/20 0.42
TAAR1 Q96RJ0 1/20 0.42
KDM4E B2RXH2 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 2/20 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
SCHEMBL9661641 1.00 MEN1 (0.54) MEN1KMT2ASMN1; SMN2HPGDL3MBTL1
SCHEMBL10410872 0.81 ALDH1A1 (0.48) MEN1KMT2ASMN1; SMN2HPGDL3MBTL1
SCHEMBL10365359 0.81 ALDH1A1 (0.48) MEN1KMT2ASMN1; SMN2HPGDL3MBTL1
SCHEMBL9661945 0.79 NPC1 (0.44) MEN1KMT2ASMN1; SMN2HPGDL3MBTL1
SCHEMBL10429290 0.79 NPC1 (0.44) MEN1KMT2ASMN1; SMN2HPGDL3MBTL1
SCHEMBL9661654 0.79 MEN1 (0.42) MEN1KMT2ASMN1; SMN2HPGDL3MBTL1
SCHEMBL9661947 0.79 KMT2A (0.42) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL10366847 0.79 MEN1 (0.42) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL10366849 0.79 MEN1 (0.42) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL10429282 0.79 MEN1 (0.42) MEN1KMT2ASMN1; SMN2HPGDL3MBTL1

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-4956470-A BACTERICIDES, FUNGICIDES, ANTHELMINTICS, ANTIPROTOZOA AGENTS HOFFMANN-LA ROCHE INC. (US) 1990-09-11 US disclosed
US-4908363-A Antiinflammatory agents HOFFMANN-LA ROCHE INC. (US) 1990-03-13 US disclosed
US-4814332-A PARASITICIDES HOFFMAN-LA ROCHE INC. (US) 1989-03-21 US disclosed