SCHEMBL31219083

SCHEMBL31219083

COc1ccc2c(c1)c1cc(OC)ccc1n2Cc1ccc(CBr)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.53
▸ MAPT P10636 4/20 0.53
▸ P2RX4 Q99571 1/20 0.52
▸ TSHR P16473 3/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ HTR6 P50406 1/20 0.52
▸ PTGS2 P35354 1/20 0.51
▸ LMNA P02545 2/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ PMP22 Q01453 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ RGS12 O14924 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ GNAI1 P63096 1/20 0.49
▸ HIF1A Q16665 1/20 0.49

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
SCHEMBL31218963 0.88 PTGS2 (0.64) KMT2AMAPTP2RX4TSHRMAPK1
SCHEMBL31219199 0.81 TP53 (0.54) KMT2AMAPTP2RX4TSHRMAPK1
SCHEMBL31219037 0.81 KMT2A (0.50) KMT2AMAPTP2RX4TSHRMAPK1
SCHEMBL31219075 0.81 KMT2A (0.50) KMT2AMAPTP2RX4TSHRMAPK1
SCHEMBL31219056 0.80 P2RX4 (0.51) KMT2AMAPTP2RX4TSHRMAPK1
SCHEMBL31019833 0.79 CCR2 (0.58) KMT2AMAPTP2RX4TSHRMAPK1
SCHEMBL31218983 0.79 LMNA (0.56) KMT2AMAPTTSHRMAPK1PTGS2
SCHEMBL31218984 0.79 KMT2A (0.48) KMT2AMAPTP2RX4TSHRMAPK1
SCHEMBL31218932 0.79 TSHR (0.50) KMT2AMAPTP2RX4TSHRMAPK1
SCHEMBL14280399 0.78 P2RX4 (0.63) KMT2AMAPTP2RX4TSHRMAPK1

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-2024199444-A1 HETEROAROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海翊维康医药有限责任公司 2024-10-03 — — WO disclosed
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