SCHEMBL28677288

SCHEMBL28677288

Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCNCC2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.57
MAPT P10636 5/20 0.54
LMNA P02545 3/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TP53 P04637 2/20 0.54
HPGD P15428 2/20 0.54
MAPK1 P28482 2/20 0.54
DHODH Q02127 1/20 0.54
USP2 O75604 1/20 0.54
HTT P42858 1/20 0.54
HSD17B10 Q99714 1/20 0.54
AVPR2 P30518 2/20 0.54
AVPR1A P37288 2/20 0.54
POLB P06746 1/20 0.54
GRM4 Q14833 1/20 0.50
MT-CO2 P00403 1/20 0.50
PNLIP P16233 1/20 0.50
CHEK1 O14757 1/20 0.49
AURKA O14965 1/20 0.49

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
SCHEMBL7334315 0.78 DHODH (0.68) MAPTLMNAALDH1A1SMN1; SMN2TP53
SCHEMBL7331517 0.78 DHODH (0.68) MAPTLMNAALDH1A1SMN1; SMN2TP53
SCHEMBL31520498 0.78 HTT (0.70) RXFP1MAPTALDH1A1HPGDHTT
SCHEMBL5180736 0.78 HTT (0.70) RXFP1MAPTALDH1A1HPGDHTT
SCHEMBL29763550 0.77 GRM1 (0.52) RXFP1GRM4CHEK1AURKADAPK3
SCHEMBL4255638 0.76 DHODH (0.73) MAPTLMNAALDH1A1SMN1; SMN2TP53
Hydrochloric Acid SCHEMBL5180774 0.76 HTT (0.68) RXFP1MAPTALDH1A1HPGDHTT
SCHEMBL14924421 0.75 RXFP1 (0.63) RXFP1LMNAALDH1A1HPGDMAPK1
SCHEMBL8719654 0.75 AVPR2 (0.73) AVPR2AVPR1A
SCHEMBL22405623 0.75 LCK (0.47) RXFP1HPGDPOLBCHEK1AURKA

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
CN-113613722-A Novel imidazole-pyrazole derivatives 豪夫迈·罗氏有限公司 2021-11-05 CN claimed
CN-113613722-A Novel imidazole-pyrazole derivatives 豪夫迈·罗氏有限公司 2021-11-05 CN disclosed