SCHEMBL31435406

SCHEMBL31435406

Cc1cccc(C)c1-c1ccc(-c2ccccc2)nn1.Cc1cccc(C)c1-c1ccc(-c2ccccc2)nn1.Cc1cccc(C)c1-c1ccc(-c2ccccc2)nn1.[Ir]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
PKM P14618 2/20 0.48
TP53 P04637 2/20 0.48
USP2 O75604 1/20 0.48
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
ASIC3 Q9UHC3 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 3/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 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
SCHEMBL12668121 0.85 CYP1A2 (0.41) ALDH1A1TSHRLMNA
SCHEMBL14451034 0.82 RAB9A (0.47) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL20405382 0.78 RAB9A (0.52) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL2493590 0.78 RAB9A (0.62) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL20405241 0.76 ENPP3 (0.58) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL29105358 0.74 NPC1 (0.57) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL423171 0.74 RAB9A (0.55) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL30661709 0.74 NPC1 (0.57) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL2014264 0.73 LMNA (0.51) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL2015724 0.73 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1KDM4EHPGD

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
CN-119371445-A Polyboron nitrogen derivative and preparation method and application thereof 苏州思萃新能源光电技术研究所有限公司 2025-01-28 CN disclosed