SCHEMBL23363335

SCHEMBL23363335

CC1(C)N=C(c2cc3ccccc3nc2F)c2cccc(F)c2C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MBNL1 Q9NR56 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ MAPT P10636 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ TP53 P04637 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ NPC1 O15118 5/20 0.33
▸ RAB9A P51151 5/20 0.33
▸ PKM P14618 2/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL4522909 0.88 MBNL1 (0.45) MBNL1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL20301236 0.81 MBNL1 (0.39) MBNL1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL15560843 0.80 PDE10A (0.40) MBNL1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL29352004 0.80 AKR1C3 (0.41) MBNL1MAPTNPC1RAB9A
SCHEMBL318061 0.80 AKR1C3 (0.41) MBNL1MAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL4531372 0.79 AKR1C3 (0.41) MBNL1MAPTNPC1RAB9A
SCHEMBL16323520 0.75 KDR (0.45) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL29709839 0.75 KDR (0.45) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL29369387 0.75 DAO (0.46) ALDH1A1MAPTLMNA
SCHEMBL20300655 0.75 NPC1 (0.47) ALDH1A1NPC1RAB9ABACE1

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
WO-2021097162-A1 BENEFICIAL COMBINATIONS WITH PAENIBACILLUS BAYER CROPSCIENCE LP (US) 2021-05-20 — — WO disclosed
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