SCHEMBL5786359

SCHEMBL5786359

CN1CCN(C(=O)c2nn(-c3cccnc3)c(=O)c3c2c2ccc(Cl)cc2n3C)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 3/20 0.50
HSD17B10 Q99714 3/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TSPO P30536 1/20 0.49
POLB P06746 2/20 0.47
TP53 P04637 5/20 0.47
MAT2A P31153 4/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
PRMT5 O14744 1/20 0.40
MAPT P10636 1/20 0.40

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
Hydrochloric Acid SCHEMBL3919147 0.99 SMN1; SMN2 (0.49) SMN1; SMN2TSHRHSD17B10KMT2AHPGD
SCHEMBL5785462 0.94 TSPO (0.50) SMN1; SMN2TSHRHSD17B10KMT2AHPGD
Hydrochloric Acid SCHEMBL3923392 0.93 TSPO (0.49) SMN1; SMN2TSHRHSD17B10KMT2AHPGD
SCHEMBL6703839 0.90 SMN1; SMN2 (0.54) SMN1; SMN2TSHRHSD17B10KMT2AHPGD
SCHEMBL5789306 0.90 POLB (0.55) SMN1; SMN2TSHRHSD17B10KMT2AHPGD
Hydrochloric Acid SCHEMBL3934914 0.89 POLB (0.54) SMN1; SMN2TSHRHSD17B10KMT2AHPGD
SCHEMBL5746061 0.86 TSPO (0.60) TSPOMAT2APRMT5
Hydrochloric Acid SCHEMBL4839588 0.85 TSPO (0.59) TSPOMAT2APRMT5
SCHEMBL7632686 0.85 TSPO (0.59) SMN1; SMN2TSHRHSD17B10KMT2AHPGD
SCHEMBL5785148 0.84 TSPO (0.59) TSPOPOLBTP53MAT2APRMT5

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-1458721-B1 3-HETEROARYL-3,5-DIHYDRO-4-OXO-4H-PYRIDAZINO [4,5-B]INDOLE-1-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE SANOFI AVENTIS (FR) 2006-11-22 EP disclosed