SCHEMBL2170493

SCHEMBL2170493

O=C(Nc1c2ccccc2nn1-c1ccccc1)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
FPR1 P21462 3/20 0.41
ATM Q13315 1/20 0.40
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MITF O75030 1/20 0.37

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
SCHEMBL27842382 0.77 KMT2A (0.48) MEN1KMT2AALDH1A1KDM4EUSP2
SCHEMBL1093154 0.75 ADORA3 (0.55) KDM4EADORA3ADORA2AHTTLMNA
SCHEMBL29794663 0.74 MPO (0.45) ADORA3ADORA2ALMNASMN1; SMN2
SCHEMBL1093434 0.74 KDM4E (0.47) MEN1KMT2AEPHX1ALDH1A1KDM4E
SCHEMBL29265995 0.73 ADORA3 (0.57) ALDH1A1ADORA3ADORA2ALMNASMN1; SMN2
SCHEMBL1094822 0.73 SMN1; SMN2 (0.41) MEN1KMT2AEPHX1ALDH1A1KDM4E
SCHEMBL1094040 0.73 KMT2A (0.41) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL1093405 0.73 PTGER4 (0.43) ATMKDM4EPOLB
SCHEMBL2170815 0.72 EPHX1 (0.53) MEN1KMT2AEPHX1ALDH1A1TSHR
SCHEMBL10595718 0.71 ATM (0.71) ATMEPHX1ALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346834-A1 3-AMINO-INDAZOLE OR 3-AMINO-4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-07-27 EP claimed
WO-2010034657-A1 3-AMINO-INDAZOLE OR 3-AMINO-4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-04-01 WO claimed
EP-2346834-A1 3-AMINO-INDAZOLE OR 3-AMINO-4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-07-27 EP disclosed
WO-2010034657-A1 3-AMINO-INDAZOLE OR 3-AMINO-4,5,6,7-TETRAHYDRO-INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-04-01 WO disclosed