SCHEMBL30977477

SCHEMBL30977477

COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(OC)c(CCCF)c(OC)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.44
LMNA P02545 3/20 0.42
MAPT P10636 1/20 0.42
USP2 O75604 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
TSHR P16473 2/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PRUNE1 Q86TP1 1/20 0.38
APAF1 O14727 1/20 0.37
NR1I2 O75469 1/20 0.37
HSP90AA1 P07900 1/20 0.37
IDE P14735 1/20 0.37
UBE2N P61088 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
MEN1 O00255 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL30977515 0.87 PRUNE1 (0.45) PIK3CALMNAMAPTUSP2CYP1A2
SCHEMBL31736473 0.83 LMNA (0.41) PIK3CALMNAMAPTUSP2CYP1A2
SCHEMBL30977478 0.80 LMNA (0.43) PIK3CALMNAMAPTUSP2CYP1A2
SCHEMBL31736371 0.80 MTNR1A (0.41) PIK3CALMNAMAPTUSP2CYP1A2
SCHEMBL30977417 0.80 USP2 (0.48) PIK3CALMNAMAPTUSP2TSHR
SCHEMBL31736504 0.78 MAPT (0.42) PIK3CALMNAMAPTUSP2TSHR
SCHEMBL12935065 0.77 LMNA (0.48) PIK3CALMNAMAPTUSP2CYP1A2
SCHEMBL30977414 0.77 LMNA (0.43) PIK3CALMNAMAPTUSP2CYP1A2
SCHEMBL31025637 0.74 LMNA (0.45) PIK3CALMNAMAPTUSP2CYP1A2
SCHEMBL166618 0.72 PIK3CA (0.56) PIK3CALMNAMAPTUSP2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4619402-A1 GPR17 MODULATORS AND USES THEREOF Myrobalan Therapeutics, Inc. (US) 2025-09-24 EP disclosed
CN-119613397-A N-heteroaromatic ring-3-sulfonamide compounds and use thereof for preparing GPR17 receptor inhibitors 迈巴制药(南京)有限公司 2025-03-14 CN disclosed
WO-2024104462-A1 GPR17 MODULATORS AND USES THEREOF MYROBALAN THERAPEUTICS NANJING CO. LTD (CN) 2024-05-23 WO disclosed