SCHEMBL11387758

SCHEMBL11387758

CCCCCOc1cc(=O)n(C)c2ccccc12

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.80
SMN1; SMN2 Q16637 6/20 0.60
HPGD P15428 5/20 0.60
LMNA P02545 4/20 0.60
RAB9A P51151 1/20 0.60
BRD4 O60885 6/20 0.58
HTT P42858 4/20 0.57
ALDH1A1 P00352 3/20 0.57
TP53 P04637 1/20 0.57
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL25493370 0.99 KCNA3 (0.78) KCNA3SMN1; SMN2HPGDLMNARAB9A
SCHEMBL11394549 0.99 KCNA3 (0.78) KCNA3SMN1; SMN2HPGDLMNARAB9A
SCHEMBL11385072 0.99 KCNA3 (0.78) KCNA3SMN1; SMN2HPGDLMNARAB9A
SCHEMBL11377058 0.99 KCNA3 (0.78) KCNA3SMN1; SMN2HPGDLMNARAB9A
SCHEMBL11385254 0.96 KCNA3 (0.77) KCNA3SMN1; SMN2HPGDLMNARAB9A
SCHEMBL11389662 0.91 KCNA3 (0.74) KCNA3SMN1; SMN2HPGDLMNARAB9A
SCHEMBL11389778 0.86 ALDH1A1 (0.63) KCNA3SMN1; SMN2HPGDLMNARAB9A
SCHEMBL24523010 0.86 KCNA3 (0.76) KCNA3SMN1; SMN2HPGDLMNARAB9A
SCHEMBL11375444 0.85 KCNA3 (0.69) KCNA3SMN1; SMN2HPGDLMNARAB9A
SCHEMBL11377528 0.85 ALDH1A1 (0.61) KCNA3SMN1; SMN2HPGDLMNAHTT

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-4032528-A DEPRESSANTS SANDOZ, INC. (US) 1977-06-28 US claimed
US-4273930-A INTERMEDIATES FOR THE 4-ALKOXY ANTIALLERGENS SANDOZ, INC. (US) 1981-06-16 US disclosed
US-4190659-A ANTIALLERGENS, ANTIHISTAMINES SANDOZ, INC. (US) 1980-02-26 US disclosed
US-4032528-A DEPRESSANTS SANDOZ, INC. (US) 1977-06-28 US disclosed