SCHEMBL16062844

SCHEMBL16062844

CCc1nncn1CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.48
▸ HTT P42858 1/20 0.45
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ ADORA2A P29274 1/20 0.39
▸ CNOT7 Q9UIV1 3/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ F2 P00734 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37

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
SCHEMBL14706783 0.83 LMNA (0.52) RECQLHTTMAPTLMNAALDH1A1
SCHEMBL14203994 0.76 HTT (0.47) HTTMAPTALDH1A1ADORA2ACNOT7
SCHEMBL17544854 0.74 SIGMAR1 (0.44) LMNAPOLBF2MAPK1
SCHEMBL5283248 0.73 ALDH1A1 (0.40) LMNAALDH1A1ADORA2AKMT2APOLB
SCHEMBL5275734 0.72 — —
SCHEMBL2056167 0.70 ALDH1A1 (0.54) RECQLMAPTLMNAALDH1A1KMT2A
SCHEMBL29238319 0.68 HTR1A (0.42) LMNAALDH1A1POLB
SCHEMBL3264495 0.67 CYP3A4 (0.45) RECQLHTTKMT2APOLBATM
SCHEMBL29987132 0.67 MAPK1 (0.48) HTTMAPTLMNAALDH1A1ADORA2A
SCHEMBL10719904 0.67 SIGMAR1 (0.44) HTTLMNACNOT7POLBMAPK1

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
US-8835470-B2 Mandelamide heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-16 — — US disclosed
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