Butylamine

Butylamine

SCHEMBL8942510

CC(=O)Nc1cc(NS(C)(=O)=O)c(Oc2ccccc2)cc1[N+](=O)[O-].CCCCN

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
CYP19A1 P11511 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.50
MLNR O43193 1/20 0.50
MMP1 P03956 1/20 0.50
MPO P05164 1/20 0.50
GLA P06280 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
TBXA2R P21731 1/20 0.50
PTGS1 P23219 1/20 0.50

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
Butylamine SCHEMBL8942543 0.99 MAPT (0.49) MAPTCYP19A1SMN1; SMN2KMT2ACYP1A2
Propylamine SCHEMBL8942462 0.95 CYP19A1 (0.53) MAPTCYP19A1SMN1; SMN2KMT2ACYP1A2
Propylamine SCHEMBL8942300 0.94 CYP19A1 (0.52) MAPTCYP19A1SMN1; SMN2KMT2ACYP1A2
SCHEMBL9574619 0.91 SMN1; SMN2 (0.60) MAPTCYP19A1SMN1; SMN2KMT2ACYP1A2
Butylamine SCHEMBL8942217 0.89 TBXA2R (0.45) MAPTCYP19A1SMN1; SMN2KMT2ACYP1A2
SCHEMBL8942347 0.85 MAPT (0.55) MAPTCYP19A1SMN1; SMN2KMT2ACYP1A2
SCHEMBL9012618 0.84 CYP19A1 (0.51) MAPTCYP19A1SMN1; SMN2KMT2ACYP1A2
Hydrochloric Acid SCHEMBL8942526 0.84 MAPT (0.54) MAPTCYP19A1SMN1; SMN2KMT2ACYP1A2
SCHEMBL8942502 0.84 KMT2A (0.50) MAPTCYP19A1SMN1; SMN2KMT2ACYP1A2
Hydrochloric Acid SCHEMBL8942537 0.83 KMT2A (0.49) MAPTCYP19A1SMN1; SMN2KMT2ACYP1A2

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-5521311-A USEFUL AS ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANALGESICS AND ANTI-ALLERGENIC AGENTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0685461-A1 5-AMINOACETYLAMINOSULFONANILIDE COMPOUND TAISHO PHARMACEUTICAL CO. LTD (JP) 1995-12-06 EP disclosed