SCHEMBL11837490

SCHEMBL11837490

CCN(CC)CCn1nc(-c2ccccc2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ TSHR P16473 1/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ HTT P42858 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ POLB P06746 3/20 0.50
▸ RAD52 P43351 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ MITF O75030 1/20 0.50
▸ DNMT1 P26358 1/20 0.50
▸ UHRF1 Q96T88 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ PDE5A O76074 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ SMARCA2 P51531 1/20 0.45

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 SCHEMBL11835277 0.99 HSD17B10 (0.54) HSD17B10KDM4ETSHRSMN1; SMN2KMT2A
SCHEMBL11834839 0.85 POLB (0.43) HSD17B10KDM4ETSHRSMN1; SMN2KMT2A
SCHEMBL11836098 0.85 KDM4E (0.58) HSD17B10KDM4ETSHRSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL11833169 0.84 PKM (0.42) HSD17B10KDM4ETSHRSMN1; SMN2KMT2A
SCHEMBL11836353 0.84 MAPT (0.57) HSD17B10KDM4ETSHRSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL11837410 0.84 KDM4E (0.57) HSD17B10KDM4ETSHRSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL11828812 0.83 MAPT (0.56) HSD17B10KDM4ETSHRSMN1; SMN2KMT2A
SCHEMBL11834589 0.80 KDM4E (0.63) HSD17B10KDM4ETSHRSMN1; SMN2KMT2A
SCHEMBL17322911 0.80 HSD17B10 (0.64) HSD17B10KDM4ETSHRSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL11833093 0.79 KDM4E (0.61) HSD17B10KDM4ETSHRSMN1; 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
US-3994890-A TRANQUILIZERS, ANTIDEPRESSANTS, ANTIINFLAMMATORY CHUGAI SEIYAKU KABUSHIKI KAISHA (JA) 1976-11-30 — — US claimed
Send feedback