SCHEMBL8234476

SCHEMBL8234476

Cc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 2/20 0.37
MAPK1 P28482 1/20 0.37
STAT3 P40763 2/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL646343 0.91 RAB9A (0.49) HPGDKDM4EMEN1KMT2AMAPT
SCHEMBL8229772 0.88 TP53 (0.38) KDM4EKMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL8234330 0.86 MAPT (0.43) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8235951 0.83 SMN1; SMN2 (0.38) HPGDKDM4ESMN1; SMN2RAB9AALDH1A1
SCHEMBL8234047 0.83 RAB9A (0.43) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL8236420 0.82 MAPT (0.46) KDM4EMEN1KMT2AMAPTRAB9A
SCHEMBL11940274 0.81 IL2 (0.41) KDM4EMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL8233863 0.81 EPHX2 (0.42) HPGDKDM4ESMN1; SMN2RAB9AALDH1A1
SCHEMBL648069 0.80 KMT2A (0.43) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8236393 0.80 IL2 (0.41) KDM4ESMN1; SMN2RAB9AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007109362-A2 BENZOIMIDAZOLYL-PARAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-09-27 WO disclosed