SCHEMBL16563611

SCHEMBL16563611

Cc1nc2ccccn2c1NC(=O)c1cc(-c2c(F)cccc2Cl)[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ RAB9A P51151 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ GAA P10253 3/20 0.41
▸ TP53 P04637 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GLA P06280 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL16564132 0.77 KMT2A (0.44) POLBRAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL16563942 0.77 KDM4E (0.40) RAB9AKMT2ASMN1; SMN2NPC1LMNA
SCHEMBL16563837 0.76 ALDH1A1 (0.39) RAB9AKMT2ASMN1; SMN2NPC1LMNA
SCHEMBL16563623 0.74 ALOX15 (0.42) POLBRAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL16564046 0.73 P2RX7 (0.47) POLBRAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL16563605 0.73 MEN1 (0.45) RAB9AKMT2ASMN1; SMN2NPC1TP53
SCHEMBL16563648 0.72 MAPT (0.52) POLBRAB9A
SCHEMBL16563570 0.72 HTT (0.40) POLBRAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL16563847 0.72 MEN1 (0.47) POLBRAB9AKMT2ANPC1
SCHEMBL16563497 0.72 PTGES (0.39) POLBRAB9AKMT2ASMN1; SMN2NPC1

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-2848615-A1 New pyrazole derivatives as CRAC channel modulators Almirall, S.A. (ES) 2015-03-18 — — EP claimed
EP-2848615-A1 New pyrazole derivatives as CRAC channel modulators Almirall, S.A. (ES) 2015-03-18 — — EP disclosed
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