SCHEMBL9871330

SCHEMBL9871330

O=[N+]([O-])c1ccc2c3c(cccc13)SN2CCCCl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
ALDH1A1 P00352 5/20 0.41
POLB P06746 5/20 0.41
NPSR1 Q6W5P4 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 3/20 0.41
CCR6 P51684 2/20 0.41
PABPC1 P11940 1/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 4/20 0.40
KDM4E B2RXH2 3/20 0.40
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 7/20 0.38
HTT P42858 3/20 0.38
S1PR4 O95977 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL9757308 0.72 HTR7 (0.48) GAAMEN1KMT2AALDH1A1POLB
SCHEMBL9290406 0.64 MEN1 (0.61) GAAMEN1KMT2AALDH1A1POLB
SCHEMBL7484059 0.64 MEN1 (0.61) GAAMEN1KMT2AALDH1A1POLB
SCHEMBL7912372 0.63 TDP1 (0.67) GAAMEN1KMT2AALDH1A1POLB
SCHEMBL10526689 0.63 TDP1 (0.74) GAAMEN1KMT2AALDH1A1POLB
Ammonia Solution, Strong SCHEMBL6416651 0.62 MEN1 (0.68) GAAMEN1KMT2AALDH1A1POLB
SCHEMBL9150525 0.62 ALDH1A1 (0.49) GAAMEN1KMT2AALDH1A1POLB
SCHEMBL29437334 0.62 SMN1; SMN2 (0.63) GAAMEN1KMT2AALDH1A1POLB
SCHEMBL17992537 0.62 SMN1; SMN2 (0.63) GAAMEN1KMT2AALDH1A1POLB
SCHEMBL29450701 0.61 MEN1 (0.66) GAAMEN1KMT2AALDH1A1POLB

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
US-5021420-A Antiserotonine agents; central nervous system, gastroin-testinal and cardiovascular disorders RHONE-POULENC SANTE (FR) 1991-06-04 US disclosed