SCHEMBL10642033

SCHEMBL10642033

O=C(Cn1c(-c2cccc(Cl)c2)nc2cccnc21)Nc1cccnc1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.55
▸ NOTUM Q6P988 1/20 0.51
▸ MAPT P10636 3/20 0.47
▸ TP53 P04637 1/20 0.47
▸ POLB P06746 1/20 0.47

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
Hydrochloric Acid SCHEMBL10387727 0.99 TSHR (0.55) TSHRNOTUMMAPTTP53POLB
SCHEMBL10386607 0.91 MEN1 (0.50) MAPT
SCHEMBL10387167 0.89 — —
Water SCHEMBL10387646 0.88 — —
Hydrochloric Acid SCHEMBL10386680 0.87 — —
SCHEMBL10388420 0.85 CNR2 (0.53) —
SCHEMBL10645531 0.84 LMNA (0.56) MAPTPOLB
SCHEMBL10644379 0.84 AVPR1B (0.53) —
Hydrochloric Acid SCHEMBL10387146 0.83 LMNA (0.55) MAPTPOLB
SCHEMBL10641968 0.83 PKM (0.48) POLB

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-4772600-A MUSCLE RELAXANTS, ANTICONVULSANTS, ANXIOLYTIC A. H. ROBINS COMPANY, INC. (US) 1988-09-20 — — US claimed
EP-0255217-A1 Fused imidazoheterocyclic compounds A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1988-02-03 — — EP claimed
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