SCHEMBL9700250

SCHEMBL9700250

CC(C)(C(=O)OS)c1nc2ccc(Cl)nc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 1/20 0.41
TBXA2R P21731 5/20 0.39
P2RX3 P56373 10/20 0.39
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9213212 0.82 TBXA2R (0.39) CCR9TBXA2RP2RX3
SCHEMBL9700304 0.80 KDM4E (0.39) CCR9TBXA2RNPC1LMNASMN1; SMN2
SCHEMBL9700294 0.72 ALDH1A1 (0.48) CCR9TBXA2RLMNA
SCHEMBL9700242 0.72 TBXA2R (0.62) CCR9TBXA2RNPC1LMNASMN1; SMN2
SCHEMBL9700338 0.71 RAB9A (0.40) CCR9TBXA2RNPC1LMNASMN1; SMN2
SCHEMBL3103170 0.64 TBXA2R (0.48) TBXA2R
SCHEMBL9682372 0.63 KDM4E (0.39) TBXA2RP2RX3LMNA
SCHEMBL9700050 0.62 TBXA2R (0.71) TBXA2R
SCHEMBL9692155 0.61 KDM4E (0.48)
SCHEMBL3096356 0.61 TBXA2R (0.64) TBXA2R

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
US-5124336-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1992-06-23 US disclosed