SCHEMBL7387785

SCHEMBL7387785

Cc1c(C(=O)CCCCCBr)c2ccccc2n1C

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ OXER1 Q8TDS5 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ PLA2G2A P14555 1/20 0.43
▸ PTGES O14684 1/20 0.43

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
SCHEMBL7385705 0.80 KMT2A (0.53) KMT2AMEN1ALDH1A1
SCHEMBL7277589 0.78 KMT2A (0.52) KMT2AMEN1OXER1ALDH1A1TSHR
SCHEMBL14397448 0.77 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1TSHR
SCHEMBL17022682 0.76 POLB (0.46) OXER1ALDH1A1PLA2G2A
SCHEMBL17022587 0.74 OXER1 (0.62) KMT2AMEN1OXER1ALDH1A1PLA2G2A
SCHEMBL7381802 0.74 LMNA (0.61) KMT2AALDH1A1TSHR
SCHEMBL7392527 0.74 LMNA (0.61) KMT2AALDH1A1TSHR
SCHEMBL7278316 0.73 EGFR (0.65) KMT2AMEN1ALDH1A1
SCHEMBL984736 0.73 EGFR (0.65) KMT2AMEN1ALDH1A1
SCHEMBL30443220 0.73 EGFR (0.65) KMT2AMEN1ALDH1A1

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-5864039-A THERAPEUTIC TREATMENT OF VARIOUS GASTROINTESTINAL DISEASES, CENTRAL NERVOUS DISORDERS, CARDIOVASCULAR DISORDERS, URINARY DISEASES, UROGENITAL DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-01-26 — — US disclosed
EP-0873990-A1 BENZOIC ACID COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-10-28 — — EP disclosed
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