SCHEMBL5789306

SCHEMBL5789306

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
TSHR P16473 3/20 0.50
HSD17B10 Q99714 3/20 0.50
SMN1; SMN2 Q16637 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
TP53 P04637 3/20 0.45
GAA P10253 2/20 0.43
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.38
KHK P50053 1/20 0.38
TSPO P30536 1/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
MAPT P10636 1/20 0.37

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 SCHEMBL3934914 0.99 POLB (0.54) POLBTSHRHSD17B10SMN1; SMN2KMT2A
SCHEMBL3922436 0.94 POLB (0.53) POLBTSHRHSD17B10SMN1; SMN2KMT2A
SCHEMBL5786359 0.90 SMN1; SMN2 (0.50) POLBTSHRHSD17B10SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL3919147 0.89 SMN1; SMN2 (0.49) POLBTSHRHSD17B10SMN1; SMN2KMT2A
SCHEMBL5785794 0.86 POLB (0.46) POLBTSHRHSD17B10SMN1; SMN2KMT2A
SCHEMBL3932353 0.86 POLB (0.45) POLBTSHRHSD17B10SMN1; SMN2KMT2A
SCHEMBL3924415 0.84 POLB (0.49) POLBTSHRHSD17B10SMN1; SMN2KMT2A
SCHEMBL3922481 0.84 TP53 (0.47) POLBTSHRSMN1; SMN2KMT2AHPGD
SCHEMBL5785462 0.83 TSPO (0.50) POLBTSHRHSD17B10SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL3923392 0.83 TSPO (0.49) POLBTSHRHSD17B10SMN1; SMN2KMT2A

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