SCHEMBL12909142

SCHEMBL12909142

CCNc1ccc(OCC)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.46
▸ KCNQ3 O43525 1/20 0.45
▸ KCNQ2 O43526 1/20 0.45
▸ FFAR1 O14842 4/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TUBB1 Q9H4B7 1/20 0.40
▸ RORC P51449 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ BRD4 O60885 2/20 0.39
▸ BCL6 P41182 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ CSF1R P07333 1/20 0.38

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
SCHEMBL3126236 0.84 KDM1A (0.47) KDM1AKCNQ3KCNQ2FFAR1L3MBTL1
SCHEMBL1239663 0.84 BCL6 (0.45) TUBB1BCL6MAPT
SCHEMBL29463708 0.83 F2 (0.47) L3MBTL1RORCTDP1ALDH1A1MAPT
SCHEMBL28150355 0.83 F2 (0.47) L3MBTL1RORCTDP1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL3113589 0.82 KDM1A (0.46) KDM1AKCNQ3KCNQ2FFAR1L3MBTL1
Hydrochloric Acid SCHEMBL14999711 0.82 BCL6 (0.44) TUBB1BCL6MAPT
SCHEMBL23409020 0.79 EPHX2 (0.58) —
SCHEMBL1223575 0.79 KDM4E (0.53) L3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL5506635 0.79 MAPT (0.54) ALDH1A1MAPTKDM4E
SCHEMBL9806039 0.79 MAPT (0.43) L3MBTL1RORCTDP1ALDH1A1MAPT

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
EP-1697347-B1 5- OR 6-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARM LTD (IE) 2011-02-23 — — EP disclosed
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