SCHEMBL31070514

SCHEMBL31070514

O=C(Nc1c[nH]c2ccccc12)N1Cc2cccc(Br)c2C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.49
▸ STING1 Q86WV6 5/20 0.46
▸ NAMPT P43490 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.45
▸ GABRA1 P14867 2/20 0.44
▸ GABRG2 P18507 2/20 0.44
▸ GABRB3 P28472 2/20 0.44
▸ GABRA3 P34903 2/20 0.44
▸ GABRA2 P47869 2/20 0.44
▸ GABRB2 P47870 2/20 0.44
▸ TAS1R3 Q7RTX0 2/20 0.42
▸ TAS1R1 Q7RTX1 2/20 0.42
▸ TAS1R2 Q8TE23 2/20 0.42
▸ MAPT P10636 3/20 0.42
▸ TRAP1 Q12931 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ ABHD6 Q9BV23 1/20 0.41
▸ POLB P06746 1/20 0.40

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
SCHEMBL25405328 0.91 TRPV1 (0.58) TRPV1STING1KDM4ETAAR1GABRA1
SCHEMBL25406151 0.91 TRPV1 (0.55) TRPV1STING1KDM4ETAAR1GABRA1
SCHEMBL30593236 0.91 TRPV1 (0.58) TRPV1STING1KDM4ETAAR1GABRA1
SCHEMBL31070648 0.87 GABRA1 (0.57) STING1NAMPTKDM4ETAAR1GABRA1
SCHEMBL31070632 0.81 STING1 (0.53) TRPV1STING1NAMPTKDM4ETAAR1
SCHEMBL25407518 0.80 TAAR1 (0.65) KDM4ETAAR1GABRA1GABRG2GABRB3
SCHEMBL30593250 0.80 TAAR1 (0.65) KDM4ETAAR1GABRA1GABRG2GABRB3
SCHEMBL25405602 0.78 KDM4E (0.49) TRPV1KDM4ETAAR1GABRA1GABRG2
SCHEMBL30593244 0.78 KDM4E (0.49) TRPV1KDM4ETAAR1GABRA1GABRG2
SCHEMBL25403491 0.78 TAAR1 (0.51) TRPV1KDM4ETAAR1GABRA1GABRG2

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-118515600-A Isoindoline compound and medical application thereof 中国科学院上海药物研究所 2024-08-20 — — CN disclosed
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