SCHEMBL16976489

SCHEMBL16976489

N=C(NC(=O)Cl)C1(c2ccc(Cl)nc2)CCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
FFAR2 O15552 3/20 0.38
HDAC4 P56524 1/20 0.36
P2RX7 Q99572 8/20 0.35
NAPRT Q6XQN6 1/20 0.35
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD11B1 P28845 1/20 0.34
ALDH1A1 P00352 2/20 0.34
FPR2 P25090 1/20 0.34

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
SCHEMBL16976492 0.90 IDO1 (0.41) IDO1FFAR2HDAC4P2RX7NAPRT
SCHEMBL877030 0.84 IDO1 (0.39) IDO1FFAR2HDAC4P2RX7MAPT
SCHEMBL9966553 0.81 IDO1 (0.44) IDO1FFAR2HDAC4P2RX7NAPRT
SCHEMBL16976491 0.80 HSD11B1 (0.37) IDO1P2RX7HSD11B1
SCHEMBL9966332 0.79 AKR1C1 (0.49) IDO1FFAR2HDAC4P2RX7NAPRT
SCHEMBL16602861 0.78 HDAC1 (0.43) FFAR2HDAC4P2RX7RAB9ASMN1; SMN2
SCHEMBL16441380 0.78 LMNA (0.43) IDO1FFAR2HDAC4P2RX7NAPRT
SCHEMBL17796436 0.77 IDO1 (0.48) IDO1FFAR2HDAC4P2RX7NAPRT
SCHEMBL15143204 0.77 IDO1 (0.48) IDO1FFAR2HDAC4P2RX7NAPRT
SCHEMBL16976480 0.76 ALOX5AP (0.46) IDO1MAPTRAB9ASMN1; SMN2

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
EP-2619197-B1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-08-05 EP disclosed