SCHEMBL9423360

SCHEMBL9423360

O=c1c(Cn2cncn2)cc2ccccc2n1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.55
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CCR2 P41597 3/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
CFTR P13569 2/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ESR1 P03372 1/20 0.39

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
SCHEMBL9754467 0.95 CYP19A1 (0.50) CYP19A1HPGDLMNASMN1; SMN2CCR2
SCHEMBL9423618 0.81 CYP19A1 (0.46) CYP19A1HPGDLMNASMN1; SMN2KDM4E
SCHEMBL13531041 0.77 CCR2 (0.55) HPGDLMNASMN1; SMN2CCR2KDM4E
SCHEMBL9396355 0.77 CCR2 (0.55) CYP19A1HPGDLMNASMN1; SMN2CCR2
SCHEMBL9423386 0.77 CYP19A1 (0.44) CYP19A1HPGDLMNACCR2KDM4E
SCHEMBL9423456 0.74 MAT2A (0.44) CYP19A1CCR2
SCHEMBL2917482 0.73 CYP19A1 (1.00) CYP19A1LMNASMN1; SMN2HDAC1HDAC6
Hydrochloric Acid SCHEMBL9382670 0.72 CYP19A1 (0.96) CYP19A1LMNASMN1; SMN2HDAC1HDAC6
SCHEMBL30783420 0.71 HPGD (0.60) HPGDLMNASMN1; SMN2CCR2KDM4E
SCHEMBL29200758 0.71 HPGD (0.60) HPGDLMNASMN1; SMN2CCR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5318971-A Also antihyperproliferative skin disease agents, e.g. psoriaisis; side effect reduction SCHERING CORPORATION (US) 1994-06-07 US disclosed
US-5064837-A Antiallergens SCHERING CORPORATION (US) 1991-11-12 US disclosed