SCHEMBL11611849

SCHEMBL11611849

O=C(Cl)C1=CN2C=Cc3ccccc3C2N=C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ CCL2 P13500 1/20 0.33
▸ MEN1 O00255 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL10375397 0.67 BRD4 (0.36) ATMBRD4CCL2
SCHEMBL11068277 0.66 BRD4 (0.35) ATMBRD4CCL2
SCHEMBL20506906 0.61 ATM (0.40) ATMBRD4CCL2MEN1USP2
SCHEMBL31570181 0.58 — —
SCHEMBL11348748 0.57 BRD4 (0.41) ATMBRD4CCL2
SCHEMBL24017022 0.56 ALDH1A1 (0.49) ATMBRD4CCL2MEN1USP2
SCHEMBL8559334 0.56 HTR2A (0.35) ATMBRD4CCL2MEN1ALDH1A1
SCHEMBL14156129 0.55 ATM (0.47) ATMBRD4CCL2MEN1USP2
SCHEMBL230905 0.55 BRD4 (0.36) ATMBRD4CCL2
SCHEMBL17284105 0.55 BRD4 (0.36) ATMBRD4CCL2

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-4127720-A ANTIALLERGENS BRISTOL-MYERS COMPANY (US) 1978-11-28 — — US disclosed
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