SCHEMBL10364784

SCHEMBL10364784

O=C(c1ccc(Cl)cc1)C(Cn1cncn1)n1cncn1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
HTT P42858 3/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 1/20 0.48
CYP19A1 P11511 2/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CYP3A4 P08684 1/20 0.43
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HSP90AA1 P07900 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 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
SCHEMBL10799731 0.84 CYP19A1 (0.48) KMT2AHTTLMNAMAPTCYP19A1
SCHEMBL10418945 0.83 HSP90AA1 (0.48) KMT2AHTTLMNAMAPTCYP19A1
SCHEMBL6321049 0.80 KMT2A (0.57) KMT2AHTTLMNAMAPTCYP19A1
SCHEMBL6202493 0.80 MAPT (0.60) KMT2AHTTLMNAMAPTCYP19A1
SCHEMBL10469518 0.80 CYP3A4 (0.44) KMT2AHTTLMNAMAPTCYP19A1
SCHEMBL10468609 0.78 KMT2A (0.56) KMT2AHTTLMNAMAPTCYP19A1
SCHEMBL6222574 0.78 CYP19A1 (0.49) KMT2AMAPTCYP19A1CYP3A4MEN1
SCHEMBL9795408 0.77 CYP19A1 (0.53) KMT2AHTTLMNAMAPTCYP19A1
SCHEMBL10482566 0.77 KMT2A (0.52) KMT2AHTTLMNAMAPTHDAC1
SCHEMBL10879896 0.77 CYP19A1 (0.49) KMT2AHTTLMNAMAPTCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0180838-B1 SUBSTITUTED AZOLYLCYCLOPROPYL-AZOLYLMETHYL-CARBINOL-DERIVATIVES BAYER AG (DE) 1990-05-16 EP disclosed
US-4910213-A Heterocyclic containing compound BAYER AKTIENGESELLSCHAFT (DE) 1990-03-20 US disclosed
US-4875928-A PLANT GROWTH REGULATORS, FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-10-24 US disclosed
EP-0180835-B1 ANTIMYCOTIC AZOLYLCYCLOPROPYLCARBINOL DERIVATIVES BAYER AG (DE) 1989-09-06 EP disclosed
EP-0180835-A2 Antimycotic azolylcyclopropylcarbinol derivatives BAYER AG (DE) 1986-05-14 EP disclosed
EP-0180838-A2 Substituted azolylcyclopropyl-azolylmethyl-carbinol-derivatives BAYER AG (DE) 1986-05-14 EP disclosed