SCHEMBL11068188

SCHEMBL11068188

Nc1nc(-c2ccccc2)c(CCOC(=O)C23CC4CC(CC(C4)C2)C3)c2ncnn12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ LMNA P02545 1/20 0.39
▸ RECQL P46063 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PTGES O14684 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ CYP17A1 P05093 2/20 0.36
▸ CYP19A1 P11511 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ TNK2 Q07912 1/20 0.35

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
SCHEMBL11070733 0.85 ALDH1A1 (0.39) ALDH1A1LMNARECQLCYP1A2CYP2D6
SCHEMBL11060121 0.81 RAD52 (0.39) ALDH1A1RECQLCYP1A2SMN1; SMN2KDM4E
SCHEMBL11016235 0.80 ALDH1A1 (0.38) ALDH1A1LMNARECQLCYP1A2CYP2D6
SCHEMBL11064822 0.79 MAPT (0.41) ALDH1A1RECQLSMN1; SMN2KDM4EGAA
SCHEMBL11071024 0.79 FAAH (0.36) LMNACYP2C19CYP3A4KDM4EHPGD
SCHEMBL9378832 0.74 ALDH1A1 (0.36) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
Bemitradine SCHEMBL121173 0.73 KDM4E (0.36) ALDH1A1CYP1A2SMN1; SMN2KDM4EMEN1
SCHEMBL9381563 0.72 ADORA2A (0.35) ALDH1A1LMNASMN1; SMN2KDM4ETNK2
SCHEMBL11070935 0.67 ADORA2A (0.35) ALDH1A1KDM4EMEN1KMT2AATM
SCHEMBL11151560 0.67 KDM5A (0.40) ALDH1A1LMNASMN1; SMN2KDM4EATM

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
EP-0129247-A1 8-Substituted 7-phenyl-1,2,4-triazolo [2,3-c] pyrimidines-5-amines and amides G.D. Searle & Co. (US) 1984-12-27 — — EP claimed
US-4483987-A 8-Substituted 7-phenyl-1,2,4-triazolo[2,3-c]pyrimidines-5-amines and amides G. D. SEARLE & CO. (US) 1984-11-20 — — US claimed
EP-0129247-A1 8-Substituted 7-phenyl-1,2,4-triazolo [2,3-c] pyrimidines-5-amines and amides G.D. Searle & Co. (US) 1984-12-27 — — EP disclosed
US-4483987-A 8-Substituted 7-phenyl-1,2,4-triazolo[2,3-c]pyrimidines-5-amines and amides G. D. SEARLE & CO. (US) 1984-11-20 — — US disclosed
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