SCHEMBL11517917

SCHEMBL11517917

Cc1ccnc(C(=O)c2ccco2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ THRB P10828 1/20 0.51
▸ APEX1 P27695 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ NPC1 O15118 6/20 0.51
▸ SMN1; SMN2 Q16637 6/20 0.51
▸ RAB9A P51151 5/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.49
▸ TSHR P16473 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ GAA P10253 2/20 0.44

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
SCHEMBL11379700 0.78 SMN1; SMN2 (0.58) KMT2AALDH1A1MEN1POLBTHRB
SCHEMBL3905239 0.76 NPC1 (0.41) KMT2AALDH1A1MEN1POLBNPC1
SCHEMBL7932102 0.75 ALDH1A1 (0.63) KMT2AALDH1A1MEN1POLBTHRB
SCHEMBL28335108 0.75 KMT2A (0.59) KMT2AALDH1A1MEN1POLBTDP1
SCHEMBL5635022 0.73 UHRF1 (0.46) KMT2AALDH1A1MEN1NPC1SMN1; SMN2
SCHEMBL3948156 0.72 POLB (0.49) KMT2AALDH1A1MEN1POLBTHRB
SCHEMBL11756461 0.72 ALDH1A1 (0.58) KMT2AALDH1A1MEN1POLBTHRB
SCHEMBL28533406 0.72 ALDH1A1 (0.58) KMT2AALDH1A1MEN1POLBTHRB
SCHEMBL181841 0.72 ALDH1A1 (0.74) KMT2AALDH1A1MEN1POLBTHRB
SCHEMBL397492 0.71 ALDH1A1 (0.52) KMT2AALDH1A1MEN1NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4173705-A ANALGESIC LABORATORIOS MADE, S.A. (ES) 1979-11-06 — — US claimed
US-4173705-A ANALGESIC LABORATORIOS MADE, S.A. (ES) 1979-11-06 — — US disclosed
US-4173705-A ANALGESIC LABORATORIOS MADE, S.A. (ES) 1979-11-06 — — US disclosed
US-4173705-A ANALGESIC LABORATORIOS MADE, S.A. (ES) 1979-11-06 — — US disclosed
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