SCHEMBL23083248

SCHEMBL23083248

O=C(Cc1ccccc1F)NCCc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ POLB P06746 1/20 0.51
▸ TAAR1 Q96RJ0 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ TAS1R3 Q7RTX0 1/20 0.50
▸ TAS1R1 Q7RTX1 1/20 0.50
▸ ADORA2A P29274 1/20 0.50
▸ ADORA1 P30542 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ CNR1 P21554 1/20 0.48
▸ KCNA5 P22460 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL23083349 0.79 TAAR1 (0.54) SMN1; SMN2RAB9ATAAR1ALDH1A1LMNA
SCHEMBL27263888 0.78 RAB9A (0.58) SMN1; SMN2RAB9ANPC1TAAR1ALDH1A1
SCHEMBL6635477 0.77 MPO (0.63) SMN1; SMN2RAB9ATAAR1ALDH1A1LMNA
SCHEMBL2093615 0.77 SMN1; SMN2 (0.59) SMN1; SMN2RAB9ATAAR1ALDH1A1HTT
SCHEMBL6029973 0.77 SMN1; SMN2 (0.59) SMN1; SMN2RAB9APOLBTAAR1ALDH1A1
SCHEMBL29451530 0.75 ALDH1A1 (0.50) SMN1; SMN2RAB9ANPC1POLBALDH1A1
SCHEMBL18381293 0.75 KMT2A (0.55) SMN1; SMN2RAB9ANPC1POLBALDH1A1
SCHEMBL1694984 0.75 RAB9A (0.62) SMN1; SMN2RAB9ANPC1TAAR1ALDH1A1
SCHEMBL9090227 0.74 SMN1; SMN2 (0.61) SMN1; SMN2RAB9APOLBALDH1A1HTT
SCHEMBL9779435 0.74 KMT2A (0.60) SMN1; SMN2RAB9APOLBTAAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313396-B1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME UNIV MICHIGAN REGENTS (US) 2021-12-15 — — EP disclosed
WO-2021046225-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2021-03-11 — — WO disclosed
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