SCHEMBL25280786

SCHEMBL25280786

O=C(O)c1ccn(-c2cc(Cl)ccc2Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
RPA1 P27694 3/20 0.45
NOTUM Q6P988 3/20 0.44
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MARS1 P56192 4/20 0.42
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
MGLL Q99685 1/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
PPP1CA P62136 1/20 0.39

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
SCHEMBL10581947 0.88 RPA1 (0.55) RPA1NOTUMALDH1A1MARS1GABRA2
SCHEMBL25300050 0.82 RPA1 (0.43) HTTRPA1MARS1GABRA2GABRB2
SCHEMBL27934074 0.79 KMT2A (0.41) HTTNOTUMALDH1A1GABRA2GABRB2
SCHEMBL25238196 0.79 GABRA2 (0.49) NOTUMGABRA2GABRB2KDM4E
SCHEMBL15754423 0.77 RPA1 (0.50) RPA1NOTUMALDH1A1KDM4EL3MBTL1
SCHEMBL9077378 0.76 CLK1 (0.50) ALDH1A1KDM4ESMN1; SMN2CASP1
SCHEMBL31587999 0.76 POLB (0.58) NOTUMALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL25232370 0.74 S1PR4 (0.52) HTTNOTUML3MBTL1SMN1; SMN2
SCHEMBL30630538 0.74 CHRM4 (0.40) LMNA
SCHEMBL16202102 0.73 MAPT (0.53) HTTNOTUMALDH1A1TP53KDM4E

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-2023114977-A1 S1PR4 RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF TIAKI THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed