SCHEMBL30705387

SCHEMBL30705387

COc1cccc(NN2C=CC=CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 4/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 4/20 0.41
IDO1 P14902 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
TP53 P04637 2/20 0.39
TSHR P16473 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NLRP3 Q96P20 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL30705391 0.82 TAS2R14 (0.40) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL3681186 0.76 TDP1 (0.37) MAPK1CYP2C19IDO1TSHRLMNA
SCHEMBL28066685 0.72 ADRB1 (0.45) KMT2AMEN1MAPTNPC1CYP2C19
SCHEMBL6364424 0.70 HTT (0.57) KMT2AMEN1MAPTMAPK1POLB
SCHEMBL7055546 0.69 NPC1 (0.58) KMT2AMEN1MAPTMAPK1POLB
SCHEMBL27366559 0.68 SIGMAR1 (0.52) KMT2AMEN1MAPTPOLBIDO1
SCHEMBL8326648 0.67 KMT2A (0.60) KMT2AMEN1MAPTMAPK1POLB
SCHEMBL1085867 0.67 MEN1 (0.71) KMT2AMEN1MAPTMAPK1POLB
SCHEMBL28470521 0.67 SMN1; SMN2 (0.58) POLBHTTNPC1CYP2C19RAB9A
SCHEMBL1999229 0.66 GAA (0.36) KMT2AMEN1MAPTTSHRLMNA

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-117098765-A Heterocyclic derivatives as Janus kinase inhibitors 奇斯药制品公司 2023-11-21 CN disclosed