SCHEMBL11533705

SCHEMBL11533705

O=C(c1ccc(Cl)cc1)C(c1ccccc1)(c1ccc(F)cc1)n1cncn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
CYP19A1 P11511 3/20 0.42
TSHR P16473 1/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HTT P42858 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNN4 O15554 2/20 0.36
SLC6A9 P48067 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
F2 P00734 1/20 0.35
PLAU P00749 1/20 0.35
KLKB1 P03952 1/20 0.35
ELANE P08246 1/20 0.35
EGFR P00533 1/20 0.35
ERBB3 P21860 1/20 0.35

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
SCHEMBL11531951 1.00 KMT2A (0.46) KMT2ASMN1; SMN2CYP19A1TSHRALDH1A1
SCHEMBL11533030 0.96 KMT2A (0.47) KMT2ASMN1; SMN2CYP19A1TSHRALDH1A1
SCHEMBL11532826 0.94 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2TSHRALDH1A1LMNA
SCHEMBL11531469 0.93 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2TSHRALDH1A1LMNA
SCHEMBL11534523 0.93 CYP19A1 (0.46) KMT2ACYP19A1ALDH1A1LMNAKCNN4
SCHEMBL11531901 0.92 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2CYP19A1TSHRALDH1A1
SCHEMBL11534023 0.92 CYP19A1 (0.46) KMT2ACYP19A1ALDH1A1LMNARAB9A
SCHEMBL11531685 0.90 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2CYP19A1TSHRALDH1A1
SCHEMBL11531949 0.89 SMN1; SMN2 (0.43) KMT2ASMN1; SMN2TSHRALDH1A1LMNA
SCHEMBL11533723 0.88 SMN1; SMN2 (0.44) KMT2ASMN1; SMN2TSHRALDH1A1LMNA

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-4140782-A Combating fungi and nematodes with diphenyl-triazolyl-methanes BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 US disclosed