SCHEMBL10989925

SCHEMBL10989925

Clc1ccc2c(c1)c1c3n2CCCCC3NCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 6/20 0.60
▸ MEN1 O00255 5/20 0.58
▸ KMT2A Q03164 5/20 0.58
▸ MAPT P10636 5/20 0.58
▸ TP53 P04637 3/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ CCR6 P51684 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ KDM4E B2RXH2 4/20 0.58
▸ CYP1A2 P05177 3/20 0.58
▸ CYP2D6 P10635 3/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ GAA P10253 2/20 0.58
▸ HTR1A P08908 1/20 0.58
▸ ADRA2A P08913 1/20 0.58
▸ CHRM1 P11229 1/20 0.58
▸ MAOA P21397 1/20 0.58
▸ DRD1 P21728 1/20 0.58
▸ SLC6A2 P23975 1/20 0.58

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
SCHEMBL10992739 0.82 HSD17B10 (0.76) HSD17B10MEN1KMT2AMAPTTP53
SCHEMBL10991344 0.78 HSD17B10 (0.45) HSD17B10MEN1KMT2AMAPTTP53
SCHEMBL10836352 0.78 HSD17B10 (0.78) HSD17B10MEN1KMT2AMAPTTP53
SCHEMBL4152460 0.75 HSD17B10 (1.00) HSD17B10MEN1KMT2AMAPTTP53
Vincantril SCHEMBL2734148 0.75 HSD17B10 (0.39) HSD17B10MEN1KMT2AMAPTTP53
SCHEMBL13702963 0.74 KMT2A (0.98) HSD17B10MEN1KMT2AMAPTTP53
Pirlindole SCHEMBL373564 0.73 HSD17B10 (1.00) HSD17B10MEN1KMT2AMAPTTP53
Pirlindole SCHEMBL18877133 0.73 HSD17B10 (1.00) HSD17B10MEN1KMT2AMAPTTP53
Pirlindole SCHEMBL29500947 0.73 HSD17B10 (1.00) HSD17B10MEN1KMT2AMAPTTP53
Pirlindole SCHEMBL18878061 0.73 HSD17B10 (1.00) HSD17B10MEN1KMT2AMAPTTP53

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
US-4503058-A ANTIANOXIC SYNTHELABO (FR) 1985-03-05 — — US claimed
US-4503058-A ANTIANOXIC SYNTHELABO (FR) 1985-03-05 — — US disclosed
Send feedback