SCHEMBL10990701

SCHEMBL10990701

O=C(c1ccccc1Nc1ccc(O)cc1)N1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 5/20 0.67
▸ LMNA P02545 4/20 0.67
▸ KMT2A Q03164 3/20 0.67
▸ CYP1A2 P05177 2/20 0.67
▸ CYP2C19 P33261 2/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ CYP2D6 P10635 1/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ HTT P42858 1/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ KDM4E B2RXH2 2/20 0.55
▸ MAPT P10636 1/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49

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
SCHEMBL10983358 0.99 NPSR1 (0.65) NPSR1LMNAKMT2ACYP1A2CYP2C19
SCHEMBL10986478 0.86 LMNA (0.55) NPSR1LMNAKMT2ACYP1A2CYP2C19
SCHEMBL10985877 0.85 NPSR1 (0.57) NPSR1LMNAKMT2ACYP1A2CYP2C19
SCHEMBL10838011 0.84 LMNA (0.62) NPSR1LMNAKMT2ACYP1A2CYP2C19
Ofornine SCHEMBL30560632 0.84 LMNA (0.62) NPSR1LMNAKMT2ACYP1A2CYP2C19
Ofornine SCHEMBL120272 0.84 LMNA (0.62) NPSR1LMNAKMT2ACYP1A2CYP2C19
SCHEMBL7849622 0.84 NPSR1 (0.62) NPSR1LMNAKMT2ACYP1A2CYP2C19
SCHEMBL10838059 0.84 LMNA (0.62) NPSR1LMNAKMT2ACYP1A2CYP2C19
SCHEMBL10987338 0.84 NPSR1 (0.52) NPSR1LMNAKMT2ACYP1A2CYP2C19
SCHEMBL10980204 0.84 SMN1; SMN2 (0.74) NPSR1LMNAKMT2ACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4510139-A ANTYIALLERGENS; ASTHMA STERLING DRUG INC. (US) 1985-04-09 — — US claimed
US-4549016-A LIPOXYGENASE INHIBITORS, ANTIALLERGENS, ANTIASTHMA AGENTS STERLING DRUG INC. (US) 1985-10-22 — — US disclosed
US-4510139-A ANTYIALLERGENS; ASTHMA STERLING DRUG INC. (US) 1985-04-09 — — US disclosed
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