SCHEMBL7441180

SCHEMBL7441180

[c]1ccccc1-c1cn(Cc2ccccc2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.53
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTR6 P50406 2/20 0.48
PDE4A P27815 4/20 0.48
PDE4B Q07343 4/20 0.48
PDE4C Q08493 4/20 0.48
PDE4D Q08499 4/20 0.48
PDE3B Q13370 4/20 0.48
PDE3A Q14432 4/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ESR1 P03372 1/20 0.46
CYP19A1 P11511 2/20 0.46

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
SCHEMBL29255655 0.79 SIRT2 (0.48) SIRT2ALDH1A1HTR6PDE4APDE4B
SCHEMBL4754296 0.78 SIRT2 (0.61) SIRT2MEN1ALDH1A1TSHRKMT2A
SCHEMBL7441184 0.78 F2RL3 (0.55) SIRT2MEN1ALDH1A1TSHRKMT2A
SCHEMBL27550167 0.74 CREBBP (0.47) SIRT2MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL10325495 0.74 KDM4E (0.50) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL5359539 0.73 MAPT (0.58) SIRT2MEN1ALDH1A1TSHRKMT2A
SCHEMBL5355132 0.72 F2RL3 (0.62) SIRT2MEN1ALDH1A1TSHRKMT2A
SCHEMBL5622616 0.71 SMN1; SMN2 (0.60) SIRT2MEN1ALDH1A1TSHRKMT2A
SCHEMBL8166825 0.71 SIRT2 (0.68) SIRT2PDE4APDE4BPDE4CPDE4D
SCHEMBL5357541 0.71 SIRT2 (0.53) SIRT2MEN1ALDH1A1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4963689-A ANTIEMETICS, ANALGESICS, GASTROINTESTINAL DISORDERS, SCHIZOPHRENIA PFIZER INC. (US) 1990-10-16 US claimed