SCHEMBL31032259

SCHEMBL31032259

FC1(F)CC(c2cc(Br)ccn2)C1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IDH1 O75874 1/20 0.31
HDAC4 P56524 1/20 0.31

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
SCHEMBL930803 0.79 HDAC4 (0.42) KDM4EALDH1A1SMN1; SMN2HDAC4
SCHEMBL30281430 0.79 HDAC4 (0.42) KDM4EALDH1A1SMN1; SMN2HDAC4
SCHEMBL29608254 0.79 CCR1 (0.45) KDM4EALDH1A1IDH1
SCHEMBL28046519 0.76 CHRNA7 (0.42) KDM4EALDH1A1SMN1; SMN2HDAC4
SCHEMBL29850110 0.74 KDM4E (0.36) KDM4EALDH1A1SMN1; SMN2HDAC4
SCHEMBL30236559 0.73 KDM4C (0.46) KDM4EALDH1A1
SCHEMBL29272445 0.73 KDM4C (0.46) KDM4EALDH1A1
SCHEMBL22558836 0.73 OPRM1 (0.38) KDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL28983678 0.71 HDAC4 (0.38) KDM4EALDH1A1SMN1; SMN2HDAC4
SCHEMBL16692772 0.71 PIK3CD (0.43) KDM4EALDH1A1SMN1; SMN2HDAC4

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
CN-118159537-A 6-Aza-quinoline derivatives and related uses 黑钻治疗公司 2024-06-07 CN disclosed