SCHEMBL24934209

SCHEMBL24934209

CCc1cccc(NC(=O)c2ccccc2F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 1/20 0.67
▸ SMN1; SMN2 Q16637 4/20 0.63
▸ MEN1 O00255 3/20 0.63
▸ KMT2A Q03164 3/20 0.63
▸ NPC1 O15118 6/20 0.63
▸ RAB9A P51151 6/20 0.63
▸ TDP1 Q9NUW8 1/20 0.59
▸ LMNA P02545 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ NFKB2 Q00653 1/20 0.57
▸ RELA Q04206 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.56
▸ POLB P06746 1/20 0.55
▸ SIRT2 Q8IXJ6 1/20 0.54
▸ SIRT1 Q96EB6 1/20 0.54
▸ SIRT3 Q9NTG7 1/20 0.54

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
SCHEMBL23367850 0.83 MEN1 (0.62) F2RSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL15604757 0.82 RAB9A (0.66) F2RSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL23367946 0.82 F2R (0.70) F2RNPC1RAB9AALDH1A1POLB
SCHEMBL11918972 0.81 TP53 (0.54) F2RSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL27972423 0.81 MEN1 (0.70) F2RSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL882809 0.81 F2R (1.00) F2RSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL8269644 0.80 GAA (0.61) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL15014130 0.80 TAS1R3 (0.54) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL12259165 0.79 KMT2A (0.72) F2RSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL6819098 0.79 KMT2A (0.58) F2RSMN1; SMN2MEN1KMT2ANPC1

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-2023009475-A1 ROCK2 INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-02-02 — — WO disclosed
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