SCHEMBL7315351

SCHEMBL7315351

ICCCc1nnnn1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 3/20 0.49
P2RX7 Q99572 3/20 0.47
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
DAGLA Q9Y4D2 1/20 0.44
TSHR P16473 2/20 0.43
SLC9A1 P19634 1/20 0.41
GRM2 Q14416 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL95272 0.85 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1LMNAP2RX7
SCHEMBL4411061 0.84 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1LMNAP2RX7
SCHEMBL4407461 0.83 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1LMNAP2RX7
SCHEMBL95273 0.82 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1LMNAP2RX7
SCHEMBL4407098 0.82 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1LMNAP2RX7
SCHEMBL4407027 0.81 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1LMNAP2RX7
SCHEMBL96819 0.80 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1LMNAP2RX7
SCHEMBL15110117 0.80 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1LMNAP2RX7
SCHEMBL15110717 0.80 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1LMNAP2RX7
SCHEMBL8467021 0.79 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1LMNAP2RX7

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-4277479-A ANTI-ASTHMATIC, HYPOTENSIVE, ANTI-ULCER, ANTIINFLAMMATORY, VASODILATION, ENZYME INHIBITORS, ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-07-07 US disclosed