SCHEMBL31362683

SCHEMBL31362683

O=C(NC1CCCCC1)c1cccnc1NCc1ccncc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 11/20 0.67
▸ CNR2 P34972 4/20 0.57
▸ CNR1 P21554 3/20 0.57
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ EPHX1 P07099 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ RAB9A P51151 1/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ KMT2A Q03164 1/20 0.53

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
SCHEMBL3106569 0.87 KDR (0.56) KDRCNR2CNR1
SCHEMBL3121697 0.87 KDR (0.56) KDRCNR2CNR1
SCHEMBL3122794 0.87 KDR (0.56) KDRCNR2CNR1
SCHEMBL6223588 0.85 KDR (0.58) KDR
Hydrochloric Acid SCHEMBL449596 0.84 KDR (0.57) KDR
Hydrochloric Acid SCHEMBL445656 0.84 KDR (0.62) KDRKDM4EALDH1A1GAA
SCHEMBL426623 0.81 KDR (1.00) KDR
SCHEMBL1715748 0.80 KDR (0.60) KDRKDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL449929 0.80 KDR (0.98) KDR
SCHEMBL28305035 0.79 KDR (0.98) KDR

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-2025024564-A1 SMALL MOLECULES THAT PREVENT STATIN-INDUCED ACCUMULATION OF HMG COA REDUCTASE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2025-01-30 — — WO disclosed
Send feedback