SCHEMBL7968273

SCHEMBL7968273

O=[N+]([O-])c1ccc2nc(C3CCNCC3)sc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CYP3A4 P08684 2/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HTT P42858 1/20 0.53
PDK1 Q15118 1/20 0.52
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
CA2 P00918 1/20 0.49
CA5A P35218 1/20 0.49
DYRK1A Q13627 1/20 0.46
ILK Q13418 1/20 0.46
RIPK1 Q13546 1/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43

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
SCHEMBL31703587 0.90 RAB9A (0.61) KMT2AMEN1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL8305248 0.77 ALDH1A1 (0.66) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL7956092 0.77 MEN1 (0.64) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL19617551 0.77 MEN1 (0.64) KMT2AMEN1ALDH1A1SMN1; SMN2TDP1
SCHEMBL29210745 0.77 MEN1 (0.64) KMT2AMEN1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL30886966 0.77 MEN1 (0.64) KMT2AMEN1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL8314254 0.77 NPC1 (0.77) KMT2AMEN1ALDH1A1SMN1; SMN2HTT
SCHEMBL20791625 0.77 MEN1 (0.64) KMT2AMEN1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL29264373 0.76 MEN1 (0.59) KMT2AMEN1ALDH1A1TSHRHTT
Hydrochloric Acid SCHEMBL20135246 0.76 MEN1 (0.62) KMT2AMEN1ALDH1A1SMN1; SMN2RAB9A

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-6303627-B1 FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
EP-0965587-A1 Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1999-12-22 EP disclosed