SCHEMBL7931137

SCHEMBL7931137

N#Cc1ccc(OB(Oc2ccc(C#N)cc2)Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA1 P00915 1/20 0.47
MAOB P27338 2/20 0.45
ENPP2 Q13822 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2A6 P11509 2/20 0.44
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
CA6 P23280 1/20 0.44
CA14 Q9ULX7 1/20 0.44
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 2/20 0.41
CYP19A1 P11511 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL2202099 0.81 ENPP2 (0.52) CA2CA9CA1MAOBENPP2
SCHEMBL23566017 0.76 CA2 (0.52) CA2CA9CA1MAOBENPP2
SCHEMBL8852392 0.76 PARP15 (0.63) CA2CA9CA1MAOBENPP2
SCHEMBL7041250 0.76 PARP15 (0.63) CA2CA9CA1MAOBENPP2
Water SCHEMBL28189314 0.74 CA2 (0.69) CA2CA9CA1MAOBENPP2
Water SCHEMBL28254092 0.74 CA2 (0.69) CA2CA9CA1MAOBENPP2
SCHEMBL45942 0.74 CA2 (0.69) CA2CA9CA1MAOBENPP2
SCHEMBL2503454 0.74 CA2 (0.69) CA2CA9CA1MAOBENPP2
SCHEMBL11784760 0.72 MAOB (0.57) CA2CA9CA1MAOBALDH1A1
SCHEMBL23253845 0.72 CA2 (0.48) CA2CA9CA1MAOBENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120365743-B High-temperature-resistant cyanate resin for carbon fiber composite core and preparation method thereof 潍坊学院 2025-09-02 CN disclosed
CN-120365743-A High-temperature-resistant cyanate resin for carbon fiber composite core and preparation method thereof 潍坊学院 2025-07-25 CN disclosed
EP-1140896-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 Takeda Chemical Industries, Ltd. (JP) 2001-10-10 EP disclosed
US-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
WO-2000037455-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-06-29 WO disclosed