SCHEMBL9475282

SCHEMBL9475282

COc1cc2c(cc1OC)C(=C(C#N)SCC(O)CN1CCCC1)NCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.35
HPGD P15428 5/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 3/20 0.35
ALOX15 P16050 2/20 0.35
NPC1 O15118 1/20 0.35
MPI P34949 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 2/20 0.34
S1PR2 O95136 1/20 0.33
MAPK1 P28482 1/20 0.33
EHMT2 Q96KQ7 1/20 0.33
KDM4A O75164 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL9478617 0.99 KDM4E (0.36) KDM4EHPGDKMT2AALDH1A1MAPT
SCHEMBL9476323 0.99 KDM4E (0.36) KDM4EHPGDKMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL9476909 0.99 KDM4E (0.34) KDM4EHPGDKMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL9484372 0.98 KDM4E (0.36) KDM4EHPGDKMT2AALDH1A1MAPT
SCHEMBL9479026 0.94 ALDH1A1 (0.35) KDM4EHPGDKMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL9478561 0.93 ALDH1A1 (0.37) KDM4EHPGDKMT2AALDH1A1MAPT
SCHEMBL9476913 0.92 TSHR (0.39) KDM4EHPGDKMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL9475824 0.91 TSHR (0.41) KDM4EHPGDKMT2AALDH1A1MAPT
SCHEMBL9476649 0.91 ABCC4 (0.37) KMT2AALDH1A1MAPTSMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL9475930 0.90 ABCC4 (0.36) KMT2AALDH1A1MAPTTSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5179089-A Antiallergens, asthma CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1993-01-12 US claimed
EP-0486211-A1 Isoquinoline derivatives CHINOIN Gyògyszer és Vegyészeti Termékek Gyára RT. (HU) 1992-05-20 EP claimed